USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 11 CYS SG : rot 57:sc= 0.124 USER MOD Set 1.2: B 14 CYS SG : rot 96:sc= -0.228 USER MOD Set 1.3: B 27 HIS :FLIP no HE2:sc= -1.86 F(o=-5!,f=0.53) USER MOD Set 1.4: B 28 GLN : amide:sc= -0.203 K(o=0.53,f=-1.1) USER MOD Set 1.5: B 32 CYS SG : rot -131:sc= 2.69 USER MOD Set 2.1: A 235 ASN : amide:sc= 0.621 K(o=1.5,f=-0.71!) USER MOD Set 2.2: A 237 GLN :FLIP amide:sc= 0.853 F(o=-0.19,f=1.5) USER MOD Set 3.1: A 232 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-3!) USER MOD Set 3.2: A 238 ASN : amide:sc= 0.00261 K(o=-3.2,f=-4.6!) USER MOD Set 3.3: B 30 TYR OH : rot 110:sc= 0.0105 USER MOD Set 4.1: A 204 CYS SG : rot -168:sc= 1.01! USER MOD Set 4.2: A 207 CYS SG : rot -40:sc= 0.00575 USER MOD Set 4.3: A 225 CYS SG : rot 160:sc= 1.78 USER MOD Set 4.4: A 228 CYS SG : rot 81:sc= -1.54 USER MOD Set 5.1: A 220 THR OG1 : rot -83:sc= 0.978 USER MOD Set 5.2: A 222 HIS : no HD1:sc= -2.13! C(o=-1.2!,f=-9.6!) USER MOD Single : A 206 ASN : amide:sc= 0.133 X(o=0.13,f=-0.023) USER MOD Single : A 210 THR OG1 : rot -16:sc= 1.54! USER MOD Single : A 212 THR OG1 : rot -121:sc= -0.192 USER MOD Single : A 223 TYR OH : rot 180:sc= 0.343 USER MOD Single : A 226 ASN : amide:sc= 0.995 K(o=1,f=-7.4!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 233 LYS NZ :NH3+ -164:sc= -0.0772 (180deg=-0.418) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -119:sc= 0.107 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 113:sc= 2.01 USER MOD Single : B 22 SER OG : rot 180:sc= 0.121 USER MOD Single : B 23 THR OG1 : rot -174:sc= -2.19! USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -3.484 16.954 1.155 1.00 1.00 N ATOM 2 CA GLU A 200 -2.831 15.625 1.127 1.00 1.00 C ATOM 3 C GLU A 200 -2.859 15.006 2.516 1.00 1.00 C ATOM 4 O GLU A 200 -2.677 15.705 3.513 1.00 1.00 O ATOM 5 CB GLU A 200 -1.388 15.757 0.634 1.00 1.00 C ATOM 6 CG GLU A 200 -1.254 15.787 -0.884 1.00 1.00 C ATOM 7 CD GLU A 200 -2.316 16.633 -1.559 1.00 1.00 C ATOM 8 OE1 GLU A 200 -2.458 17.818 -1.195 1.00 1.00 O ATOM 9 OE2 GLU A 200 -3.035 16.109 -2.431 1.00 1.00 O ATOM 0 HA GLU A 200 -3.375 14.976 0.441 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -0.956 16.669 1.045 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -0.804 14.924 1.024 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -0.269 16.172 -1.148 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -1.311 14.768 -1.268 1.00 1.00 H new ATOM 16 N ALA A 201 -3.098 13.704 2.585 1.00 1.00 N ATOM 17 CA ALA A 201 -3.155 13.017 3.865 1.00 1.00 C ATOM 18 C ALA A 201 -2.127 11.894 3.941 1.00 1.00 C ATOM 19 O ALA A 201 -1.114 12.011 4.632 1.00 1.00 O ATOM 20 CB ALA A 201 -4.554 12.473 4.112 1.00 1.00 C ATOM 0 H ALA A 201 -3.255 13.106 1.774 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.915 13.741 4.643 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -4.581 11.961 5.074 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -5.269 13.296 4.119 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -4.816 11.771 3.320 1.00 1.00 H new ATOM 26 N ARG A 202 -2.382 10.809 3.226 1.00 1.00 N ATOM 27 CA ARG A 202 -1.481 9.667 3.227 1.00 1.00 C ATOM 28 C ARG A 202 -1.346 9.110 1.816 1.00 1.00 C ATOM 29 O ARG A 202 -1.996 9.601 0.893 1.00 1.00 O ATOM 30 CB ARG A 202 -2.010 8.588 4.181 1.00 1.00 C ATOM 31 CG ARG A 202 -0.924 7.723 4.809 1.00 1.00 C ATOM 32 CD ARG A 202 -0.290 8.390 6.027 1.00 1.00 C ATOM 33 NE ARG A 202 0.155 9.760 5.757 1.00 1.00 N ATOM 34 CZ ARG A 202 1.431 10.140 5.706 1.00 1.00 C ATOM 35 NH1 ARG A 202 2.404 9.254 5.857 1.00 1.00 N ATOM 36 NH2 ARG A 202 1.737 11.412 5.486 1.00 1.00 N ATOM 0 H ARG A 202 -3.207 10.695 2.637 1.00 1.00 H new ATOM 0 HA ARG A 202 -0.497 9.986 3.570 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.580 9.069 4.976 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.702 7.945 3.637 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -1.350 6.764 5.103 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -0.153 7.516 4.067 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -1.010 8.401 6.845 1.00 1.00 H new ATOM 0 HD3 ARG A 202 0.561 7.795 6.359 1.00 1.00 H new ATOM 0 HE ARG A 202 -0.560 10.470 5.597 1.00 1.00 H new ATOM 0 HH11 ARG A 202 2.179 8.271 6.014 1.00 1.00 H new ATOM 0 HH12 ARG A 202 3.378 9.554 5.816 1.00 1.00 H new ATOM 0 HH21 ARG A 202 0.995 12.100 5.356 1.00 1.00 H new ATOM 0 HH22 ARG A 202 2.714 11.702 5.447 1.00 1.00 H new ATOM 50 N GLU A 203 -0.498 8.106 1.650 1.00 1.00 N ATOM 51 CA GLU A 203 -0.293 7.492 0.348 1.00 1.00 C ATOM 52 C GLU A 203 -0.986 6.136 0.285 1.00 1.00 C ATOM 53 O GLU A 203 -0.949 5.366 1.246 1.00 1.00 O ATOM 54 CB GLU A 203 1.202 7.319 0.051 1.00 1.00 C ATOM 55 CG GLU A 203 2.128 8.105 0.972 1.00 1.00 C ATOM 56 CD GLU A 203 2.487 7.342 2.232 1.00 1.00 C ATOM 57 OE1 GLU A 203 1.749 7.457 3.229 1.00 1.00 O ATOM 58 OE2 GLU A 203 3.511 6.630 2.233 1.00 1.00 O ATOM 0 H GLU A 203 0.059 7.699 2.401 1.00 1.00 H new ATOM 0 HA GLU A 203 -0.724 8.153 -0.404 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.453 6.261 0.123 1.00 1.00 H new ATOM 0 HB3 GLU A 203 1.392 7.623 -0.978 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.041 8.358 0.433 1.00 1.00 H new ATOM 0 HG3 GLU A 203 1.649 9.045 1.246 1.00 1.00 H new ATOM 65 N CYS A 204 -1.627 5.866 -0.847 1.00 1.00 N ATOM 66 CA CYS A 204 -2.327 4.607 -1.067 1.00 1.00 C ATOM 67 C CYS A 204 -1.341 3.436 -1.108 1.00 1.00 C ATOM 68 O CYS A 204 -0.133 3.625 -1.256 1.00 1.00 O ATOM 69 CB CYS A 204 -3.130 4.691 -2.376 1.00 1.00 C ATOM 70 SG CYS A 204 -3.758 3.101 -3.012 1.00 1.00 S ATOM 0 H CYS A 204 -1.676 6.512 -1.635 1.00 1.00 H new ATOM 0 HA CYS A 204 -3.013 4.432 -0.239 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -3.976 5.361 -2.221 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.500 5.145 -3.141 1.00 1.00 H new ATOM 0 HG CYS A 204 -4.186 3.259 -4.229 1.00 1.00 H new ATOM 75 N VAL A 205 -1.870 2.228 -0.995 1.00 1.00 N ATOM 76 CA VAL A 205 -1.054 1.026 -1.013 1.00 1.00 C ATOM 77 C VAL A 205 -0.837 0.540 -2.439 1.00 1.00 C ATOM 78 O VAL A 205 -0.072 -0.391 -2.680 1.00 1.00 O ATOM 79 CB VAL A 205 -1.707 -0.117 -0.216 1.00 1.00 C ATOM 80 CG1 VAL A 205 -2.072 0.333 1.186 1.00 1.00 C ATOM 81 CG2 VAL A 205 -2.930 -0.654 -0.949 1.00 1.00 C ATOM 0 H VAL A 205 -2.869 2.054 -0.889 1.00 1.00 H new ATOM 0 HA VAL A 205 -0.102 1.291 -0.554 1.00 1.00 H new ATOM 0 HB VAL A 205 -0.980 -0.924 -0.128 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -2.531 -0.495 1.726 1.00 1.00 H new ATOM 0 HG12 VAL A 205 -1.172 0.654 1.711 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -2.775 1.164 1.130 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -3.377 -1.461 -0.369 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -3.658 0.147 -1.077 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -2.631 -1.032 -1.927 1.00 1.00 H new ATOM 91 N ASN A 206 -1.537 1.144 -3.379 1.00 1.00 N ATOM 92 CA ASN A 206 -1.425 0.749 -4.769 1.00 1.00 C ATOM 93 C ASN A 206 -0.996 1.921 -5.637 1.00 1.00 C ATOM 94 O ASN A 206 0.168 2.014 -6.036 1.00 1.00 O ATOM 95 CB ASN A 206 -2.758 0.187 -5.262 1.00 1.00 C ATOM 96 CG ASN A 206 -2.807 -1.332 -5.259 1.00 1.00 C ATOM 97 OD1 ASN A 206 -3.476 -1.941 -6.095 1.00 1.00 O ATOM 98 ND2 ASN A 206 -2.102 -1.963 -4.327 1.00 1.00 N ATOM 0 H ASN A 206 -2.189 1.909 -3.206 1.00 1.00 H new ATOM 0 HA ASN A 206 -0.661 -0.025 -4.844 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -3.561 0.571 -4.633 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -2.945 0.548 -6.273 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -2.104 -2.982 -4.289 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -1.558 -1.428 -3.649 1.00 1.00 H new ATOM 105 N CYS A 207 -1.937 2.818 -5.914 1.00 1.00 N ATOM 106 CA CYS A 207 -1.671 3.983 -6.742 1.00 1.00 C ATOM 107 C CYS A 207 -0.791 4.993 -6.016 1.00 1.00 C ATOM 108 O CYS A 207 -0.009 5.714 -6.637 1.00 1.00 O ATOM 109 CB CYS A 207 -2.994 4.643 -7.136 1.00 1.00 C ATOM 110 SG CYS A 207 -4.467 3.862 -6.390 1.00 1.00 S ATOM 0 H CYS A 207 -2.896 2.757 -5.573 1.00 1.00 H new ATOM 0 HA CYS A 207 -1.139 3.652 -7.634 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -2.965 5.693 -6.844 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -3.092 4.617 -8.221 1.00 1.00 H new ATOM 0 HG CYS A 207 -4.320 2.570 -6.389 1.00 1.00 H new ATOM 115 N GLY A 208 -0.927 5.039 -4.700 1.00 1.00 N ATOM 116 CA GLY A 208 -0.164 5.983 -3.911 1.00 1.00 C ATOM 117 C GLY A 208 -0.816 7.345 -3.921 1.00 1.00 C ATOM 118 O GLY A 208 -0.179 8.361 -3.651 1.00 1.00 O ATOM 0 H GLY A 208 -1.553 4.439 -4.163 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -0.081 5.623 -2.886 1.00 1.00 H new ATOM 0 HA3 GLY A 208 0.849 6.058 -4.306 1.00 1.00 H new ATOM 122 N ALA A 209 -2.100 7.353 -4.246 1.00 1.00 N ATOM 123 CA ALA A 209 -2.876 8.578 -4.312 1.00 1.00 C ATOM 124 C ALA A 209 -3.399 8.970 -2.936 1.00 1.00 C ATOM 125 O ALA A 209 -3.432 8.153 -2.019 1.00 1.00 O ATOM 126 CB ALA A 209 -4.026 8.407 -5.292 1.00 1.00 C ATOM 0 H ALA A 209 -2.631 6.511 -4.471 1.00 1.00 H new ATOM 0 HA ALA A 209 -2.227 9.381 -4.661 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -4.605 9.329 -5.338 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -3.630 8.178 -6.281 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -4.668 7.591 -4.960 1.00 1.00 H new ATOM 132 N THR A 210 -3.809 10.222 -2.804 1.00 1.00 N ATOM 133 CA THR A 210 -4.329 10.727 -1.544 1.00 1.00 C ATOM 134 C THR A 210 -5.685 11.408 -1.741 1.00 1.00 C ATOM 135 O THR A 210 -6.344 11.790 -0.771 1.00 1.00 O ATOM 136 CB THR A 210 -3.336 11.718 -0.892 1.00 1.00 C ATOM 137 OG1 THR A 210 -3.929 12.355 0.252 1.00 1.00 O ATOM 138 CG2 THR A 210 -2.890 12.775 -1.891 1.00 1.00 C ATOM 0 H THR A 210 -3.791 10.909 -3.558 1.00 1.00 H new ATOM 0 HA THR A 210 -4.460 9.873 -0.880 1.00 1.00 H new ATOM 0 HB THR A 210 -2.465 11.149 -0.569 1.00 1.00 H new ATOM 0 HG1 THR A 210 -4.901 12.233 0.227 1.00 1.00 H new ATOM 0 HG21 THR A 210 -2.192 13.460 -1.409 1.00 1.00 H new ATOM 0 HG22 THR A 210 -2.399 12.293 -2.736 1.00 1.00 H new ATOM 0 HG23 THR A 210 -3.758 13.331 -2.245 1.00 1.00 H new ATOM 146 N ALA A 211 -6.099 11.554 -2.993 1.00 1.00 N ATOM 147 CA ALA A 211 -7.371 12.193 -3.307 1.00 1.00 C ATOM 148 C ALA A 211 -8.534 11.224 -3.116 1.00 1.00 C ATOM 149 O ALA A 211 -9.164 10.787 -4.082 1.00 1.00 O ATOM 150 CB ALA A 211 -7.360 12.739 -4.728 1.00 1.00 C ATOM 0 H ALA A 211 -5.573 11.239 -3.808 1.00 1.00 H new ATOM 0 HA ALA A 211 -7.508 13.025 -2.617 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -8.318 13.212 -4.943 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -6.561 13.474 -4.829 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -7.193 11.922 -5.430 1.00 1.00 H new ATOM 156 N THR A 212 -8.817 10.899 -1.866 1.00 1.00 N ATOM 157 CA THR A 212 -9.896 9.983 -1.537 1.00 1.00 C ATOM 158 C THR A 212 -10.791 10.574 -0.448 1.00 1.00 C ATOM 159 O THR A 212 -10.312 11.260 0.458 1.00 1.00 O ATOM 160 CB THR A 212 -9.346 8.611 -1.079 1.00 1.00 C ATOM 161 OG1 THR A 212 -10.424 7.734 -0.730 1.00 1.00 O ATOM 162 CG2 THR A 212 -8.409 8.765 0.108 1.00 1.00 C ATOM 0 H THR A 212 -8.310 11.259 -1.057 1.00 1.00 H new ATOM 0 HA THR A 212 -10.488 9.832 -2.440 1.00 1.00 H new ATOM 0 HB THR A 212 -8.786 8.182 -1.910 1.00 1.00 H new ATOM 0 HG1 THR A 212 -10.329 7.455 0.205 1.00 1.00 H new ATOM 0 HG21 THR A 212 -8.038 7.785 0.408 1.00 1.00 H new ATOM 0 HG22 THR A 212 -7.569 9.401 -0.172 1.00 1.00 H new ATOM 0 HG23 THR A 212 -8.947 9.220 0.940 1.00 1.00 H new ATOM 170 N PRO A 213 -12.111 10.349 -0.543 1.00 1.00 N ATOM 171 CA PRO A 213 -13.070 10.851 0.441 1.00 1.00 C ATOM 172 C PRO A 213 -13.093 10.019 1.725 1.00 1.00 C ATOM 173 O PRO A 213 -13.662 10.441 2.735 1.00 1.00 O ATOM 174 CB PRO A 213 -14.406 10.743 -0.292 1.00 1.00 C ATOM 175 CG PRO A 213 -14.227 9.608 -1.238 1.00 1.00 C ATOM 176 CD PRO A 213 -12.776 9.616 -1.639 1.00 1.00 C ATOM 0 HA PRO A 213 -12.823 11.860 0.771 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -15.225 10.554 0.403 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -14.643 11.666 -0.821 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -14.495 8.663 -0.766 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -14.872 9.723 -2.109 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -12.383 8.604 -1.739 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -12.629 10.112 -2.599 1.00 1.00 H new ATOM 184 N LEU A 214 -12.475 8.842 1.687 1.00 1.00 N ATOM 185 CA LEU A 214 -12.436 7.959 2.846 1.00 1.00 C ATOM 186 C LEU A 214 -11.333 6.917 2.691 1.00 1.00 C ATOM 187 O LEU A 214 -11.087 6.423 1.589 1.00 1.00 O ATOM 188 CB LEU A 214 -13.789 7.258 3.026 1.00 1.00 C ATOM 189 CG LEU A 214 -14.004 6.595 4.388 1.00 1.00 C ATOM 190 CD1 LEU A 214 -14.138 7.650 5.477 1.00 1.00 C ATOM 191 CD2 LEU A 214 -15.234 5.700 4.352 1.00 1.00 C ATOM 0 H LEU A 214 -11.994 8.478 0.864 1.00 1.00 H new ATOM 0 HA LEU A 214 -12.226 8.564 3.728 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -14.582 7.988 2.866 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -13.893 6.499 2.250 1.00 1.00 H new ATOM 0 HG LEU A 214 -13.136 5.977 4.616 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -14.290 7.162 6.440 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -13.230 8.251 5.515 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -14.990 8.293 5.257 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -15.374 5.235 5.328 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -16.112 6.297 4.105 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -15.098 4.925 3.597 1.00 1.00 H new ATOM 203 N TRP A 215 -10.669 6.600 3.793 1.00 1.00 N ATOM 204 CA TRP A 215 -9.602 5.609 3.789 1.00 1.00 C ATOM 205 C TRP A 215 -10.122 4.275 4.302 1.00 1.00 C ATOM 206 O TRP A 215 -10.739 4.205 5.367 1.00 1.00 O ATOM 207 CB TRP A 215 -8.425 6.067 4.656 1.00 1.00 C ATOM 208 CG TRP A 215 -7.714 7.265 4.113 1.00 1.00 C ATOM 209 CD1 TRP A 215 -7.929 8.567 4.453 1.00 1.00 C ATOM 210 CD2 TRP A 215 -6.669 7.272 3.133 1.00 1.00 C ATOM 211 NE1 TRP A 215 -7.084 9.386 3.747 1.00 1.00 N ATOM 212 CE2 TRP A 215 -6.303 8.615 2.926 1.00 1.00 C ATOM 213 CE3 TRP A 215 -6.011 6.274 2.407 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -5.307 8.985 2.028 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -5.022 6.643 1.515 1.00 1.00 C ATOM 216 CH2 TRP A 215 -4.681 7.988 1.331 1.00 1.00 C ATOM 0 H TRP A 215 -10.851 7.017 4.706 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.255 5.493 2.762 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -8.789 6.294 5.658 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -7.715 5.246 4.753 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -8.659 8.905 5.174 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -7.044 10.403 3.821 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -6.271 5.234 2.541 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -5.038 10.021 1.886 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -4.504 5.881 0.951 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -3.907 8.244 0.623 1.00 1.00 H new ATOM 227 N ARG A 216 -9.881 3.224 3.540 1.00 1.00 N ATOM 228 CA ARG A 216 -10.318 1.892 3.924 1.00 1.00 C ATOM 229 C ARG A 216 -9.144 1.112 4.477 1.00 1.00 C ATOM 230 O ARG A 216 -8.194 0.820 3.758 1.00 1.00 O ATOM 231 CB ARG A 216 -10.929 1.150 2.732 1.00 1.00 C ATOM 232 CG ARG A 216 -12.445 1.235 2.673 1.00 1.00 C ATOM 233 CD ARG A 216 -12.916 2.672 2.539 1.00 1.00 C ATOM 234 NE ARG A 216 -14.364 2.758 2.379 1.00 1.00 N ATOM 235 CZ ARG A 216 -14.961 3.339 1.345 1.00 1.00 C ATOM 236 NH1 ARG A 216 -14.234 3.878 0.375 1.00 1.00 N ATOM 237 NH2 ARG A 216 -16.284 3.378 1.286 1.00 1.00 N ATOM 0 H ARG A 216 -9.384 3.266 2.650 1.00 1.00 H new ATOM 0 HA ARG A 216 -11.086 1.986 4.692 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -10.515 1.558 1.810 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -10.634 0.102 2.778 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -12.811 0.651 1.829 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -12.871 0.794 3.574 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -12.614 3.237 3.421 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -12.428 3.135 1.682 1.00 1.00 H new ATOM 0 HE ARG A 216 -14.952 2.348 3.104 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -13.216 3.846 0.423 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -14.693 4.324 -0.419 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -16.840 2.963 2.033 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -16.746 3.823 0.493 1.00 1.00 H new ATOM 251 N ARG A 217 -9.201 0.794 5.754 1.00 1.00 N ATOM 252 CA ARG A 217 -8.128 0.054 6.392 1.00 1.00 C ATOM 253 C ARG A 217 -8.559 -1.372 6.687 1.00 1.00 C ATOM 254 O ARG A 217 -9.738 -1.642 6.921 1.00 1.00 O ATOM 255 CB ARG A 217 -7.682 0.746 7.682 1.00 1.00 C ATOM 256 CG ARG A 217 -8.778 0.859 8.731 1.00 1.00 C ATOM 257 CD ARG A 217 -8.410 0.112 10.002 1.00 1.00 C ATOM 258 NE ARG A 217 -7.257 0.706 10.674 1.00 1.00 N ATOM 259 CZ ARG A 217 -6.251 0.005 11.194 1.00 1.00 C ATOM 260 NH1 ARG A 217 -6.224 -1.317 11.092 1.00 1.00 N ATOM 261 NH2 ARG A 217 -5.259 0.631 11.804 1.00 1.00 N ATOM 0 H ARG A 217 -9.977 1.035 6.371 1.00 1.00 H new ATOM 0 HA ARG A 217 -7.284 0.027 5.703 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -6.842 0.196 8.106 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.319 1.745 7.440 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -8.954 1.909 8.963 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -9.710 0.460 8.330 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.263 0.110 10.681 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -8.192 -0.928 9.760 1.00 1.00 H new ATOM 0 HE ARG A 217 -7.220 1.723 10.750 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -6.979 -1.807 10.612 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -5.449 -1.844 11.494 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -5.265 1.648 11.876 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -4.487 0.096 12.203 1.00 1.00 H new ATOM 275 N ASP A 218 -7.604 -2.280 6.661 1.00 1.00 N ATOM 276 CA ASP A 218 -7.871 -3.678 6.942 1.00 1.00 C ATOM 277 C ASP A 218 -7.566 -3.982 8.408 1.00 1.00 C ATOM 278 O ASP A 218 -7.479 -3.070 9.236 1.00 1.00 O ATOM 279 CB ASP A 218 -7.032 -4.572 6.023 1.00 1.00 C ATOM 280 CG ASP A 218 -5.610 -4.733 6.515 1.00 1.00 C ATOM 281 OD1 ASP A 218 -4.913 -3.713 6.667 1.00 1.00 O ATOM 282 OD2 ASP A 218 -5.197 -5.879 6.788 1.00 1.00 O ATOM 0 H ASP A 218 -6.629 -2.073 6.446 1.00 1.00 H new ATOM 0 HA ASP A 218 -8.925 -3.883 6.754 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -7.501 -5.553 5.948 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -7.020 -4.147 5.019 1.00 1.00 H new ATOM 287 N ARG A 219 -7.395 -5.256 8.721 1.00 1.00 N ATOM 288 CA ARG A 219 -7.110 -5.677 10.079 1.00 1.00 C ATOM 289 C ARG A 219 -5.653 -5.407 10.462 1.00 1.00 C ATOM 290 O ARG A 219 -5.365 -5.055 11.609 1.00 1.00 O ATOM 291 CB ARG A 219 -7.425 -7.163 10.244 1.00 1.00 C ATOM 292 CG ARG A 219 -7.243 -7.664 11.665 1.00 1.00 C ATOM 293 CD ARG A 219 -8.159 -6.931 12.634 1.00 1.00 C ATOM 294 NE ARG A 219 -7.664 -7.003 14.005 1.00 1.00 N ATOM 295 CZ ARG A 219 -7.775 -8.080 14.781 1.00 1.00 C ATOM 296 NH1 ARG A 219 -8.428 -9.153 14.344 1.00 1.00 N ATOM 297 NH2 ARG A 219 -7.248 -8.072 15.997 1.00 1.00 N ATOM 0 H ARG A 219 -7.449 -6.019 8.047 1.00 1.00 H new ATOM 0 HA ARG A 219 -7.744 -5.093 10.746 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -8.453 -7.346 9.931 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.782 -7.739 9.578 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.450 -8.733 11.705 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -6.205 -7.529 11.970 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -8.246 -5.887 12.333 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -9.159 -7.361 12.585 1.00 1.00 H new ATOM 0 HE ARG A 219 -7.205 -6.179 14.393 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -8.845 -9.152 13.413 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -8.512 -9.977 14.940 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -6.760 -7.243 16.336 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -7.331 -8.895 16.594 1.00 1.00 H new ATOM 311 N THR A 220 -4.737 -5.564 9.510 1.00 1.00 N ATOM 312 CA THR A 220 -3.320 -5.349 9.785 1.00 1.00 C ATOM 313 C THR A 220 -3.011 -3.863 9.964 1.00 1.00 C ATOM 314 O THR A 220 -2.319 -3.475 10.908 1.00 1.00 O ATOM 315 CB THR A 220 -2.417 -5.945 8.681 1.00 1.00 C ATOM 316 OG1 THR A 220 -2.715 -5.359 7.410 1.00 1.00 O ATOM 317 CG2 THR A 220 -2.590 -7.453 8.596 1.00 1.00 C ATOM 0 H THR A 220 -4.948 -5.837 8.550 1.00 1.00 H new ATOM 0 HA THR A 220 -3.101 -5.870 10.717 1.00 1.00 H new ATOM 0 HB THR A 220 -1.383 -5.720 8.943 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.482 -5.819 7.009 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.945 -7.850 7.812 1.00 1.00 H new ATOM 0 HG22 THR A 220 -2.321 -7.905 9.551 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.629 -7.688 8.364 1.00 1.00 H new ATOM 325 N GLY A 221 -3.526 -3.034 9.067 1.00 1.00 N ATOM 326 CA GLY A 221 -3.296 -1.606 9.169 1.00 1.00 C ATOM 327 C GLY A 221 -2.951 -0.976 7.838 1.00 1.00 C ATOM 328 O GLY A 221 -2.192 -0.010 7.775 1.00 1.00 O ATOM 0 H GLY A 221 -4.097 -3.323 8.273 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -4.187 -1.126 9.574 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -2.486 -1.422 9.875 1.00 1.00 H new ATOM 332 N HIS A 222 -3.506 -1.524 6.772 1.00 1.00 N ATOM 333 CA HIS A 222 -3.265 -1.013 5.436 1.00 1.00 C ATOM 334 C HIS A 222 -4.373 -0.053 5.044 1.00 1.00 C ATOM 335 O HIS A 222 -5.518 -0.462 4.872 1.00 1.00 O ATOM 336 CB HIS A 222 -3.193 -2.160 4.426 1.00 1.00 C ATOM 337 CG HIS A 222 -1.913 -2.933 4.479 1.00 1.00 C ATOM 338 ND1 HIS A 222 -1.166 -3.215 3.360 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.244 -3.482 5.522 1.00 1.00 C ATOM 340 CE1 HIS A 222 -0.096 -3.901 3.708 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.119 -4.077 5.012 1.00 1.00 N ATOM 0 H HIS A 222 -4.131 -2.329 6.807 1.00 1.00 H new ATOM 0 HA HIS A 222 -2.311 -0.486 5.433 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.025 -2.841 4.604 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -3.321 -1.756 3.422 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.541 -3.456 6.560 1.00 1.00 H new ATOM 0 HE1 HIS A 222 0.670 -4.258 3.036 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.586 -4.575 5.555 1.00 1.00 H new ATOM 350 N TYR A 223 -4.035 1.220 4.922 1.00 1.00 N ATOM 351 CA TYR A 223 -5.015 2.231 4.550 1.00 1.00 C ATOM 352 C TYR A 223 -5.045 2.415 3.040 1.00 1.00 C ATOM 353 O TYR A 223 -4.078 2.884 2.444 1.00 1.00 O ATOM 354 CB TYR A 223 -4.706 3.559 5.249 1.00 1.00 C ATOM 355 CG TYR A 223 -5.040 3.547 6.725 1.00 1.00 C ATOM 356 CD1 TYR A 223 -4.114 3.105 7.662 1.00 1.00 C ATOM 357 CD2 TYR A 223 -6.287 3.957 7.178 1.00 1.00 C ATOM 358 CE1 TYR A 223 -4.421 3.075 9.010 1.00 1.00 C ATOM 359 CE2 TYR A 223 -6.604 3.927 8.523 1.00 1.00 C ATOM 360 CZ TYR A 223 -5.668 3.485 9.434 1.00 1.00 C ATOM 361 OH TYR A 223 -5.982 3.446 10.777 1.00 1.00 O ATOM 0 H TYR A 223 -3.092 1.579 5.074 1.00 1.00 H new ATOM 0 HA TYR A 223 -6.000 1.893 4.873 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -3.648 3.790 5.124 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -5.266 4.357 4.763 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -3.138 2.780 7.332 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -7.022 4.305 6.467 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -3.689 2.733 9.726 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.579 4.248 8.858 1.00 1.00 H new ATOM 0 HH TYR A 223 -6.898 3.769 10.908 1.00 1.00 H new ATOM 371 N LEU A 224 -6.153 2.022 2.431 1.00 1.00 N ATOM 372 CA LEU A 224 -6.322 2.133 0.990 1.00 1.00 C ATOM 373 C LEU A 224 -7.252 3.297 0.667 1.00 1.00 C ATOM 374 O LEU A 224 -7.916 3.831 1.561 1.00 1.00 O ATOM 375 CB LEU A 224 -6.892 0.829 0.411 1.00 1.00 C ATOM 376 CG LEU A 224 -6.751 -0.409 1.304 1.00 1.00 C ATOM 377 CD1 LEU A 224 -7.658 -1.517 0.819 1.00 1.00 C ATOM 378 CD2 LEU A 224 -5.312 -0.897 1.352 1.00 1.00 C ATOM 0 H LEU A 224 -6.955 1.620 2.917 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.347 2.315 0.537 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.950 0.980 0.194 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -6.398 0.628 -0.539 1.00 1.00 H new ATOM 0 HG LEU A 224 -7.046 -0.124 2.314 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -7.545 -2.388 1.464 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -8.693 -1.177 0.845 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -7.390 -1.785 -0.203 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -5.247 -1.776 1.994 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -4.982 -1.157 0.346 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -4.674 -0.109 1.751 1.00 1.00 H new ATOM 390 N CYS A 225 -7.312 3.673 -0.604 1.00 1.00 N ATOM 391 CA CYS A 225 -8.148 4.783 -1.033 1.00 1.00 C ATOM 392 C CYS A 225 -9.609 4.359 -1.193 1.00 1.00 C ATOM 393 O CYS A 225 -10.068 3.384 -0.595 1.00 1.00 O ATOM 394 CB CYS A 225 -7.626 5.347 -2.358 1.00 1.00 C ATOM 395 SG CYS A 225 -7.582 4.131 -3.718 1.00 1.00 S ATOM 0 H CYS A 225 -6.790 3.223 -1.356 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.103 5.552 -0.262 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.254 6.187 -2.656 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -6.621 5.740 -2.203 1.00 1.00 H new ATOM 0 HG CYS A 225 -7.547 4.756 -4.858 1.00 1.00 H new ATOM 400 N ASN A 226 -10.328 5.106 -2.016 1.00 1.00 N ATOM 401 CA ASN A 226 -11.729 4.830 -2.287 1.00 1.00 C ATOM 402 C ASN A 226 -11.838 3.851 -3.446 1.00 1.00 C ATOM 403 O ASN A 226 -12.878 3.228 -3.662 1.00 1.00 O ATOM 404 CB ASN A 226 -12.462 6.129 -2.622 1.00 1.00 C ATOM 405 CG ASN A 226 -13.969 5.962 -2.689 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.559 5.169 -1.955 1.00 1.00 O ATOM 407 ND2 ASN A 226 -14.601 6.714 -3.572 1.00 1.00 N ATOM 0 H ASN A 226 -9.959 5.917 -2.513 1.00 1.00 H new ATOM 0 HA ASN A 226 -12.189 4.389 -1.402 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.219 6.881 -1.871 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -12.101 6.506 -3.579 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -15.615 6.650 -3.664 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -14.075 7.359 -4.162 1.00 1.00 H new ATOM 414 N ALA A 227 -10.747 3.716 -4.185 1.00 1.00 N ATOM 415 CA ALA A 227 -10.702 2.815 -5.321 1.00 1.00 C ATOM 416 C ALA A 227 -10.191 1.452 -4.881 1.00 1.00 C ATOM 417 O ALA A 227 -10.905 0.451 -4.963 1.00 1.00 O ATOM 418 CB ALA A 227 -9.824 3.388 -6.423 1.00 1.00 C ATOM 0 H ALA A 227 -9.878 4.223 -4.015 1.00 1.00 H new ATOM 0 HA ALA A 227 -11.710 2.699 -5.719 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -9.802 2.698 -7.267 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -10.228 4.347 -6.748 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -8.812 3.530 -6.045 1.00 1.00 H new ATOM 424 N CYS A 228 -8.965 1.432 -4.371 1.00 1.00 N ATOM 425 CA CYS A 228 -8.344 0.204 -3.902 1.00 1.00 C ATOM 426 C CYS A 228 -9.043 -0.295 -2.640 1.00 1.00 C ATOM 427 O CYS A 228 -9.029 -1.489 -2.332 1.00 1.00 O ATOM 428 CB CYS A 228 -6.860 0.454 -3.636 1.00 1.00 C ATOM 429 SG CYS A 228 -6.026 1.379 -4.971 1.00 1.00 S ATOM 0 H CYS A 228 -8.379 2.261 -4.272 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.441 -0.565 -4.668 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.754 1.006 -2.702 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.357 -0.503 -3.499 1.00 1.00 H new ATOM 0 HG CYS A 228 -6.268 2.649 -4.836 1.00 1.00 H new ATOM 434 N GLY A 229 -9.663 0.632 -1.921 1.00 1.00 N ATOM 435 CA GLY A 229 -10.374 0.285 -0.709 1.00 1.00 C ATOM 436 C GLY A 229 -11.560 -0.620 -0.979 1.00 1.00 C ATOM 437 O GLY A 229 -11.888 -1.486 -0.164 1.00 1.00 O ATOM 0 H GLY A 229 -9.685 1.624 -2.159 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -9.691 -0.210 -0.019 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.718 1.196 -0.219 1.00 1.00 H new ATOM 441 N LEU A 230 -12.194 -0.435 -2.132 1.00 1.00 N ATOM 442 CA LEU A 230 -13.348 -1.242 -2.504 1.00 1.00 C ATOM 443 C LEU A 230 -12.920 -2.663 -2.848 1.00 1.00 C ATOM 444 O LEU A 230 -13.701 -3.601 -2.723 1.00 1.00 O ATOM 445 CB LEU A 230 -14.091 -0.612 -3.684 1.00 1.00 C ATOM 446 CG LEU A 230 -14.888 0.654 -3.351 1.00 1.00 C ATOM 447 CD1 LEU A 230 -15.517 1.237 -4.608 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.956 0.354 -2.308 1.00 1.00 C ATOM 0 H LEU A 230 -11.928 0.266 -2.824 1.00 1.00 H new ATOM 0 HA LEU A 230 -14.025 -1.280 -1.650 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.367 -0.372 -4.463 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -14.773 -1.353 -4.101 1.00 1.00 H new ATOM 0 HG LEU A 230 -14.201 1.393 -2.937 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -16.079 2.135 -4.351 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -14.734 1.491 -5.323 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.190 0.503 -5.052 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -16.512 1.265 -2.084 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -16.639 -0.402 -2.694 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -15.483 -0.015 -1.398 1.00 1.00 H new ATOM 460 N TYR A 231 -11.668 -2.811 -3.265 1.00 1.00 N ATOM 461 CA TYR A 231 -11.121 -4.115 -3.620 1.00 1.00 C ATOM 462 C TYR A 231 -10.991 -4.992 -2.374 1.00 1.00 C ATOM 463 O TYR A 231 -11.094 -6.217 -2.442 1.00 1.00 O ATOM 464 CB TYR A 231 -9.762 -3.931 -4.320 1.00 1.00 C ATOM 465 CG TYR A 231 -8.758 -5.046 -4.085 1.00 1.00 C ATOM 466 CD1 TYR A 231 -8.846 -6.256 -4.768 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.711 -4.878 -3.185 1.00 1.00 C ATOM 468 CE1 TYR A 231 -7.921 -7.264 -4.558 1.00 1.00 C ATOM 469 CE2 TYR A 231 -6.785 -5.880 -2.970 1.00 1.00 C ATOM 470 CZ TYR A 231 -6.892 -7.070 -3.659 1.00 1.00 C ATOM 471 OH TYR A 231 -5.966 -8.070 -3.446 1.00 1.00 O ATOM 0 H TYR A 231 -11.009 -2.039 -3.366 1.00 1.00 H new ATOM 0 HA TYR A 231 -11.798 -4.618 -4.310 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -9.933 -3.838 -5.392 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -9.323 -2.991 -3.985 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -9.649 -6.411 -5.473 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -7.620 -3.947 -2.645 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -8.004 -8.197 -5.095 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -5.980 -5.732 -2.265 1.00 1.00 H new ATOM 0 HH TYR A 231 -5.308 -7.771 -2.784 1.00 1.00 H new ATOM 481 N HIS A 232 -10.777 -4.353 -1.234 1.00 1.00 N ATOM 482 CA HIS A 232 -10.640 -5.071 0.028 1.00 1.00 C ATOM 483 C HIS A 232 -11.990 -5.190 0.725 1.00 1.00 C ATOM 484 O HIS A 232 -12.380 -6.274 1.157 1.00 1.00 O ATOM 485 CB HIS A 232 -9.652 -4.354 0.953 1.00 1.00 C ATOM 486 CG HIS A 232 -8.393 -5.127 1.226 1.00 1.00 C ATOM 487 ND1 HIS A 232 -8.128 -5.745 2.430 1.00 1.00 N ATOM 488 CD2 HIS A 232 -7.309 -5.353 0.447 1.00 1.00 C ATOM 489 CE1 HIS A 232 -6.936 -6.311 2.379 1.00 1.00 C ATOM 490 NE2 HIS A 232 -6.416 -6.090 1.186 1.00 1.00 N ATOM 0 H HIS A 232 -10.694 -3.339 -1.155 1.00 1.00 H new ATOM 0 HA HIS A 232 -10.261 -6.069 -0.194 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -9.387 -3.394 0.509 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -10.147 -4.141 1.900 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -7.172 -5.015 -0.570 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -6.465 -6.862 3.179 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -5.503 -6.413 0.866 1.00 1.00 H new ATOM 499 N LYS A 233 -12.700 -4.067 0.819 1.00 1.00 N ATOM 500 CA LYS A 233 -14.001 -4.027 1.483 1.00 1.00 C ATOM 501 C LYS A 233 -15.037 -4.884 0.760 1.00 1.00 C ATOM 502 O LYS A 233 -15.681 -5.743 1.367 1.00 1.00 O ATOM 503 CB LYS A 233 -14.502 -2.585 1.583 1.00 1.00 C ATOM 504 CG LYS A 233 -15.717 -2.429 2.480 1.00 1.00 C ATOM 505 CD LYS A 233 -16.485 -1.157 2.167 1.00 1.00 C ATOM 506 CE LYS A 233 -17.731 -1.034 3.028 1.00 1.00 C ATOM 507 NZ LYS A 233 -18.650 -2.189 2.846 1.00 1.00 N ATOM 0 H LYS A 233 -12.394 -3.170 0.442 1.00 1.00 H new ATOM 0 HA LYS A 233 -13.867 -4.437 2.484 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -13.697 -1.954 1.961 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -14.748 -2.224 0.584 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -16.374 -3.290 2.357 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -15.400 -2.416 3.523 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -15.842 -0.292 2.330 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -16.767 -1.150 1.114 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -17.442 -0.963 4.076 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -18.255 -0.111 2.778 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -19.588 -1.949 3.226 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -18.733 -2.411 1.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -18.273 -3.016 3.352 1.00 1.00 H new ATOM 521 N MET A 234 -15.190 -4.664 -0.537 1.00 1.00 N ATOM 522 CA MET A 234 -16.162 -5.412 -1.324 1.00 1.00 C ATOM 523 C MET A 234 -15.555 -6.732 -1.790 1.00 1.00 C ATOM 524 O MET A 234 -15.576 -7.067 -2.977 1.00 1.00 O ATOM 525 CB MET A 234 -16.631 -4.575 -2.519 1.00 1.00 C ATOM 526 CG MET A 234 -17.886 -5.110 -3.190 1.00 1.00 C ATOM 527 SD MET A 234 -19.240 -5.362 -2.026 1.00 1.00 S ATOM 528 CE MET A 234 -20.576 -5.739 -3.158 1.00 1.00 C ATOM 0 H MET A 234 -14.656 -3.976 -1.067 1.00 1.00 H new ATOM 0 HA MET A 234 -17.029 -5.634 -0.701 1.00 1.00 H new ATOM 0 HB2 MET A 234 -16.816 -3.554 -2.185 1.00 1.00 H new ATOM 0 HB3 MET A 234 -15.829 -4.529 -3.255 1.00 1.00 H new ATOM 0 HG2 MET A 234 -18.204 -4.414 -3.966 1.00 1.00 H new ATOM 0 HG3 MET A 234 -17.655 -6.054 -3.684 1.00 1.00 H new ATOM 0 HE1 MET A 234 -21.490 -5.922 -2.594 1.00 1.00 H new ATOM 0 HE2 MET A 234 -20.729 -4.898 -3.834 1.00 1.00 H new ATOM 0 HE3 MET A 234 -20.323 -6.628 -3.736 1.00 1.00 H new ATOM 538 N ASN A 235 -15.014 -7.477 -0.837 1.00 1.00 N ATOM 539 CA ASN A 235 -14.393 -8.760 -1.121 1.00 1.00 C ATOM 540 C ASN A 235 -14.123 -9.513 0.179 1.00 1.00 C ATOM 541 O ASN A 235 -14.636 -10.612 0.394 1.00 1.00 O ATOM 542 CB ASN A 235 -13.079 -8.560 -1.881 1.00 1.00 C ATOM 543 CG ASN A 235 -12.567 -9.835 -2.525 1.00 1.00 C ATOM 544 OD1 ASN A 235 -12.960 -10.936 -2.150 1.00 1.00 O ATOM 545 ND2 ASN A 235 -11.671 -9.693 -3.490 1.00 1.00 N ATOM 0 H ASN A 235 -14.993 -7.211 0.147 1.00 1.00 H new ATOM 0 HA ASN A 235 -15.075 -9.344 -1.739 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -13.223 -7.803 -2.652 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -12.323 -8.177 -1.195 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -11.282 -10.516 -3.950 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -11.370 -8.761 -3.773 1.00 1.00 H new ATOM 552 N GLY A 236 -13.322 -8.910 1.050 1.00 1.00 N ATOM 553 CA GLY A 236 -12.984 -9.540 2.313 1.00 1.00 C ATOM 554 C GLY A 236 -11.626 -10.211 2.263 1.00 1.00 C ATOM 555 O GLY A 236 -11.106 -10.667 3.283 1.00 1.00 O ATOM 0 H GLY A 236 -12.899 -7.993 0.904 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -12.990 -8.792 3.105 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -13.745 -10.278 2.566 1.00 1.00 H new ATOM 559 N GLN A 237 -11.057 -10.273 1.067 1.00 1.00 N ATOM 560 CA GLN A 237 -9.751 -10.881 0.867 1.00 1.00 C ATOM 561 C GLN A 237 -8.653 -9.832 1.003 1.00 1.00 C ATOM 562 O GLN A 237 -8.934 -8.635 1.105 1.00 1.00 O ATOM 563 CB GLN A 237 -9.668 -11.537 -0.514 1.00 1.00 C ATOM 564 CG GLN A 237 -10.635 -12.696 -0.703 1.00 1.00 C ATOM 565 CD GLN A 237 -10.510 -13.341 -2.071 1.00 1.00 C ATOM 566 OE1 GLN A 237 -9.661 -14.347 -2.174 1.00 1.00 O flip ATOM 567 NE2 GLN A 237 -11.169 -12.939 -3.029 1.00 1.00 N flip ATOM 0 H GLN A 237 -11.484 -9.907 0.216 1.00 1.00 H new ATOM 0 HA GLN A 237 -9.611 -11.647 1.630 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -9.866 -10.783 -1.276 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -8.651 -11.895 -0.675 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -10.453 -13.446 0.067 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -11.656 -12.339 -0.565 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -11.816 -12.159 -2.912 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -11.069 -13.386 -3.940 1.00 1.00 H new ATOM 576 N ASN A 238 -7.411 -10.287 1.007 1.00 1.00 N ATOM 577 CA ASN A 238 -6.268 -9.397 1.126 1.00 1.00 C ATOM 578 C ASN A 238 -5.601 -9.206 -0.229 1.00 1.00 C ATOM 579 O ASN A 238 -5.057 -10.192 -0.762 1.00 1.00 O ATOM 580 CB ASN A 238 -5.255 -9.954 2.127 1.00 1.00 C ATOM 581 CG ASN A 238 -4.022 -9.076 2.257 1.00 1.00 C ATOM 582 OD1 ASN A 238 -4.094 -7.856 2.114 1.00 1.00 O ATOM 583 ND2 ASN A 238 -2.880 -9.690 2.529 1.00 1.00 N ATOM 0 H ASN A 238 -7.168 -11.274 0.929 1.00 1.00 H new ATOM 0 HA ASN A 238 -6.624 -8.432 1.486 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -5.730 -10.054 3.103 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -4.954 -10.954 1.816 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -2.021 -9.149 2.627 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -2.860 -10.704 2.641 1.00 1.00 H new ATOM 591 N GLY B 1 25.144 -1.378 1.973 1.00 1.00 N ATOM 592 CA GLY B 1 24.342 -0.984 3.154 1.00 1.00 C ATOM 593 C GLY B 1 23.004 -1.686 3.187 1.00 1.00 C ATOM 594 O GLY B 1 22.748 -2.571 2.367 1.00 1.00 O ATOM 0 H1 GLY B 1 26.030 -1.823 2.288 1.00 1.00 H new ATOM 0 H2 GLY B 1 24.603 -2.053 1.396 1.00 1.00 H new ATOM 0 H3 GLY B 1 25.363 -0.535 1.405 1.00 1.00 H new ATOM 0 HA2 GLY B 1 24.896 -1.217 4.063 1.00 1.00 H new ATOM 0 HA3 GLY B 1 24.186 0.095 3.143 1.00 1.00 H new ATOM 600 N SER B 2 22.157 -1.293 4.140 1.00 1.00 N ATOM 601 CA SER B 2 20.829 -1.878 4.304 1.00 1.00 C ATOM 602 C SER B 2 20.917 -3.383 4.569 1.00 1.00 C ATOM 603 O SER B 2 20.082 -4.158 4.103 1.00 1.00 O ATOM 604 CB SER B 2 19.963 -1.591 3.070 1.00 1.00 C ATOM 605 OG SER B 2 19.877 -0.194 2.826 1.00 1.00 O ATOM 0 H SER B 2 22.373 -0.562 4.817 1.00 1.00 H new ATOM 0 HA SER B 2 20.359 -1.416 5.172 1.00 1.00 H new ATOM 0 HB2 SER B 2 20.386 -2.091 2.199 1.00 1.00 H new ATOM 0 HB3 SER B 2 18.964 -2.001 3.218 1.00 1.00 H new ATOM 0 HG SER B 2 19.322 -0.034 2.034 1.00 1.00 H new ATOM 611 N LEU B 3 21.927 -3.788 5.336 1.00 1.00 N ATOM 612 CA LEU B 3 22.124 -5.196 5.664 1.00 1.00 C ATOM 613 C LEU B 3 21.020 -5.688 6.591 1.00 1.00 C ATOM 614 O LEU B 3 21.061 -5.451 7.802 1.00 1.00 O ATOM 615 CB LEU B 3 23.493 -5.415 6.313 1.00 1.00 C ATOM 616 CG LEU B 3 24.501 -6.180 5.454 1.00 1.00 C ATOM 617 CD1 LEU B 3 24.907 -5.358 4.244 1.00 1.00 C ATOM 618 CD2 LEU B 3 25.721 -6.556 6.277 1.00 1.00 C ATOM 0 H LEU B 3 22.621 -3.160 5.741 1.00 1.00 H new ATOM 0 HA LEU B 3 22.084 -5.768 4.737 1.00 1.00 H new ATOM 0 HB2 LEU B 3 23.918 -4.444 6.566 1.00 1.00 H new ATOM 0 HB3 LEU B 3 23.352 -5.955 7.249 1.00 1.00 H new ATOM 0 HG LEU B 3 24.027 -7.096 5.101 1.00 1.00 H new ATOM 0 HD11 LEU B 3 25.624 -5.920 3.646 1.00 1.00 H new ATOM 0 HD12 LEU B 3 24.026 -5.138 3.641 1.00 1.00 H new ATOM 0 HD13 LEU B 3 25.363 -4.425 4.575 1.00 1.00 H new ATOM 0 HD21 LEU B 3 26.429 -7.100 5.651 1.00 1.00 H new ATOM 0 HD22 LEU B 3 26.195 -5.652 6.659 1.00 1.00 H new ATOM 0 HD23 LEU B 3 25.416 -7.187 7.112 1.00 1.00 H new ATOM 630 N LEU B 4 20.024 -6.341 5.995 1.00 1.00 N ATOM 631 CA LEU B 4 18.875 -6.882 6.723 1.00 1.00 C ATOM 632 C LEU B 4 18.039 -5.766 7.348 1.00 1.00 C ATOM 633 O LEU B 4 17.200 -6.011 8.215 1.00 1.00 O ATOM 634 CB LEU B 4 19.329 -7.877 7.799 1.00 1.00 C ATOM 635 CG LEU B 4 18.990 -9.342 7.519 1.00 1.00 C ATOM 636 CD1 LEU B 4 17.483 -9.541 7.463 1.00 1.00 C ATOM 637 CD2 LEU B 4 19.643 -9.809 6.225 1.00 1.00 C ATOM 0 H LEU B 4 19.990 -6.511 4.990 1.00 1.00 H new ATOM 0 HA LEU B 4 18.249 -7.411 6.004 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.409 -7.788 7.921 1.00 1.00 H new ATOM 0 HB3 LEU B 4 18.876 -7.592 8.749 1.00 1.00 H new ATOM 0 HG LEU B 4 19.385 -9.946 8.336 1.00 1.00 H new ATOM 0 HD11 LEU B 4 17.262 -10.589 7.263 1.00 1.00 H new ATOM 0 HD12 LEU B 4 17.042 -9.253 8.417 1.00 1.00 H new ATOM 0 HD13 LEU B 4 17.064 -8.924 6.669 1.00 1.00 H new ATOM 0 HD21 LEU B 4 19.389 -10.854 6.045 1.00 1.00 H new ATOM 0 HD22 LEU B 4 19.283 -9.200 5.396 1.00 1.00 H new ATOM 0 HD23 LEU B 4 20.725 -9.708 6.307 1.00 1.00 H new ATOM 649 N LYS B 5 18.257 -4.542 6.889 1.00 1.00 N ATOM 650 CA LYS B 5 17.530 -3.392 7.400 1.00 1.00 C ATOM 651 C LYS B 5 17.026 -2.532 6.254 1.00 1.00 C ATOM 652 O LYS B 5 17.807 -1.847 5.593 1.00 1.00 O ATOM 653 CB LYS B 5 18.420 -2.562 8.329 1.00 1.00 C ATOM 654 CG LYS B 5 18.330 -2.977 9.788 1.00 1.00 C ATOM 655 CD LYS B 5 17.003 -2.565 10.404 1.00 1.00 C ATOM 656 CE LYS B 5 16.932 -2.942 11.873 1.00 1.00 C ATOM 657 NZ LYS B 5 15.687 -2.444 12.511 1.00 1.00 N ATOM 0 H LYS B 5 18.935 -4.321 6.160 1.00 1.00 H new ATOM 0 HA LYS B 5 16.674 -3.754 7.970 1.00 1.00 H new ATOM 0 HB2 LYS B 5 19.455 -2.648 7.999 1.00 1.00 H new ATOM 0 HB3 LYS B 5 18.143 -1.511 8.241 1.00 1.00 H new ATOM 0 HG2 LYS B 5 18.449 -4.057 9.868 1.00 1.00 H new ATOM 0 HG3 LYS B 5 19.148 -2.524 10.347 1.00 1.00 H new ATOM 0 HD2 LYS B 5 16.869 -1.489 10.296 1.00 1.00 H new ATOM 0 HD3 LYS B 5 16.186 -3.043 9.864 1.00 1.00 H new ATOM 0 HE2 LYS B 5 16.983 -4.026 11.973 1.00 1.00 H new ATOM 0 HE3 LYS B 5 17.797 -2.533 12.395 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 15.676 -2.721 13.513 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 15.650 -1.407 12.438 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 14.862 -2.854 12.029 1.00 1.00 H new ATOM 671 N PRO B 6 15.714 -2.576 5.989 1.00 1.00 N ATOM 672 CA PRO B 6 15.102 -1.792 4.916 1.00 1.00 C ATOM 673 C PRO B 6 15.172 -0.292 5.191 1.00 1.00 C ATOM 674 O PRO B 6 14.437 0.235 6.029 1.00 1.00 O ATOM 675 CB PRO B 6 13.649 -2.274 4.894 1.00 1.00 C ATOM 676 CG PRO B 6 13.406 -2.840 6.251 1.00 1.00 C ATOM 677 CD PRO B 6 14.725 -3.399 6.710 1.00 1.00 C ATOM 0 HA PRO B 6 15.615 -1.932 3.965 1.00 1.00 H new ATOM 0 HB2 PRO B 6 12.965 -1.453 4.681 1.00 1.00 H new ATOM 0 HB3 PRO B 6 13.495 -3.026 4.120 1.00 1.00 H new ATOM 0 HG2 PRO B 6 13.049 -2.071 6.936 1.00 1.00 H new ATOM 0 HG3 PRO B 6 12.643 -3.618 6.218 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.843 -3.315 7.790 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.823 -4.455 6.460 1.00 1.00 H new ATOM 685 N ALA B 7 16.077 0.385 4.499 1.00 1.00 N ATOM 686 CA ALA B 7 16.244 1.822 4.659 1.00 1.00 C ATOM 687 C ALA B 7 15.844 2.556 3.383 1.00 1.00 C ATOM 688 O ALA B 7 16.106 3.749 3.230 1.00 1.00 O ATOM 689 CB ALA B 7 17.683 2.144 5.032 1.00 1.00 C ATOM 0 H ALA B 7 16.708 -0.039 3.820 1.00 1.00 H new ATOM 0 HA ALA B 7 15.591 2.160 5.464 1.00 1.00 H new ATOM 0 HB1 ALA B 7 17.796 3.222 5.149 1.00 1.00 H new ATOM 0 HB2 ALA B 7 17.935 1.649 5.970 1.00 1.00 H new ATOM 0 HB3 ALA B 7 18.350 1.793 4.245 1.00 1.00 H new ATOM 695 N ARG B 8 15.207 1.837 2.466 1.00 1.00 N ATOM 696 CA ARG B 8 14.773 2.422 1.205 1.00 1.00 C ATOM 697 C ARG B 8 13.255 2.409 1.108 1.00 1.00 C ATOM 698 O ARG B 8 12.634 1.348 1.091 1.00 1.00 O ATOM 699 CB ARG B 8 15.386 1.668 0.019 1.00 1.00 C ATOM 700 CG ARG B 8 16.861 1.975 -0.204 1.00 1.00 C ATOM 701 CD ARG B 8 17.093 3.465 -0.365 1.00 1.00 C ATOM 702 NE ARG B 8 18.502 3.785 -0.580 1.00 1.00 N ATOM 703 CZ ARG B 8 19.056 4.953 -0.261 1.00 1.00 C ATOM 704 NH1 ARG B 8 18.325 5.901 0.318 1.00 1.00 N ATOM 705 NH2 ARG B 8 20.342 5.168 -0.510 1.00 1.00 N ATOM 0 H ARG B 8 14.980 0.848 2.573 1.00 1.00 H new ATOM 0 HA ARG B 8 15.117 3.456 1.172 1.00 1.00 H new ATOM 0 HB2 ARG B 8 15.267 0.597 0.180 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.831 1.918 -0.885 1.00 1.00 H new ATOM 0 HG2 ARG B 8 17.444 1.602 0.638 1.00 1.00 H new ATOM 0 HG3 ARG B 8 17.214 1.451 -1.092 1.00 1.00 H new ATOM 0 HD2 ARG B 8 16.506 3.833 -1.207 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.736 3.985 0.524 1.00 1.00 H new ATOM 0 HE ARG B 8 19.097 3.071 -1.000 1.00 1.00 H new ATOM 0 HH11 ARG B 8 17.339 5.734 0.518 1.00 1.00 H new ATOM 0 HH12 ARG B 8 18.750 6.795 0.562 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.906 4.438 -0.946 1.00 1.00 H new ATOM 0 HH22 ARG B 8 20.766 6.063 -0.266 1.00 1.00 H new ATOM 719 N PHE B 9 12.662 3.594 1.058 1.00 1.00 N ATOM 720 CA PHE B 9 11.211 3.727 0.968 1.00 1.00 C ATOM 721 C PHE B 9 10.799 4.216 -0.418 1.00 1.00 C ATOM 722 O PHE B 9 9.783 4.893 -0.577 1.00 1.00 O ATOM 723 CB PHE B 9 10.697 4.691 2.048 1.00 1.00 C ATOM 724 CG PHE B 9 11.531 5.935 2.215 1.00 1.00 C ATOM 725 CD1 PHE B 9 11.358 7.024 1.372 1.00 1.00 C ATOM 726 CD2 PHE B 9 12.482 6.018 3.220 1.00 1.00 C ATOM 727 CE1 PHE B 9 12.119 8.167 1.526 1.00 1.00 C ATOM 728 CE2 PHE B 9 13.245 7.161 3.378 1.00 1.00 C ATOM 729 CZ PHE B 9 13.061 8.237 2.530 1.00 1.00 C ATOM 0 H PHE B 9 13.164 4.482 1.078 1.00 1.00 H new ATOM 0 HA PHE B 9 10.765 2.746 1.132 1.00 1.00 H new ATOM 0 HB2 PHE B 9 9.676 4.982 1.802 1.00 1.00 H new ATOM 0 HB3 PHE B 9 10.658 4.163 3.001 1.00 1.00 H new ATOM 0 HD1 PHE B 9 10.619 6.977 0.586 1.00 1.00 H new ATOM 0 HD2 PHE B 9 12.629 5.181 3.887 1.00 1.00 H new ATOM 0 HE1 PHE B 9 11.976 9.005 0.860 1.00 1.00 H new ATOM 0 HE2 PHE B 9 13.984 7.213 4.164 1.00 1.00 H new ATOM 0 HZ PHE B 9 13.654 9.131 2.654 1.00 1.00 H new ATOM 739 N MET B 10 11.584 3.861 -1.423 1.00 1.00 N ATOM 740 CA MET B 10 11.304 4.275 -2.788 1.00 1.00 C ATOM 741 C MET B 10 11.341 3.085 -3.732 1.00 1.00 C ATOM 742 O MET B 10 12.312 2.327 -3.747 1.00 1.00 O ATOM 743 CB MET B 10 12.322 5.321 -3.247 1.00 1.00 C ATOM 744 CG MET B 10 12.224 5.652 -4.728 1.00 1.00 C ATOM 745 SD MET B 10 13.794 6.194 -5.428 1.00 1.00 S ATOM 746 CE MET B 10 13.429 6.059 -7.177 1.00 1.00 C ATOM 0 H MET B 10 12.420 3.287 -1.319 1.00 1.00 H new ATOM 0 HA MET B 10 10.305 4.710 -2.808 1.00 1.00 H new ATOM 0 HB2 MET B 10 12.180 6.234 -2.668 1.00 1.00 H new ATOM 0 HB3 MET B 10 13.327 4.959 -3.029 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.874 4.773 -5.270 1.00 1.00 H new ATOM 0 HG3 MET B 10 11.478 6.433 -4.872 1.00 1.00 H new ATOM 0 HE1 MET B 10 14.303 6.360 -7.755 1.00 1.00 H new ATOM 0 HE2 MET B 10 13.173 5.027 -7.417 1.00 1.00 H new ATOM 0 HE3 MET B 10 12.589 6.708 -7.425 1.00 1.00 H new ATOM 756 N CYS B 11 10.277 2.918 -4.503 1.00 1.00 N ATOM 757 CA CYS B 11 10.202 1.837 -5.464 1.00 1.00 C ATOM 758 C CYS B 11 10.974 2.216 -6.721 1.00 1.00 C ATOM 759 O CYS B 11 10.855 3.338 -7.218 1.00 1.00 O ATOM 760 CB CYS B 11 8.744 1.532 -5.814 1.00 1.00 C ATOM 761 SG CYS B 11 8.525 0.159 -6.986 1.00 1.00 S ATOM 0 H CYS B 11 9.454 3.520 -4.479 1.00 1.00 H new ATOM 0 HA CYS B 11 10.645 0.943 -5.025 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.204 1.300 -4.896 1.00 1.00 H new ATOM 0 HB3 CYS B 11 8.289 2.429 -6.234 1.00 1.00 H new ATOM 0 HG CYS B 11 9.086 -0.912 -6.509 1.00 1.00 H new ATOM 766 N LEU B 12 11.762 1.282 -7.225 1.00 1.00 N ATOM 767 CA LEU B 12 12.555 1.515 -8.425 1.00 1.00 C ATOM 768 C LEU B 12 11.783 1.137 -9.694 1.00 1.00 C ATOM 769 O LEU B 12 11.655 1.960 -10.600 1.00 1.00 O ATOM 770 CB LEU B 12 13.876 0.740 -8.363 1.00 1.00 C ATOM 771 CG LEU B 12 14.603 0.790 -7.019 1.00 1.00 C ATOM 772 CD1 LEU B 12 15.759 -0.195 -7.014 1.00 1.00 C ATOM 773 CD2 LEU B 12 15.099 2.200 -6.726 1.00 1.00 C ATOM 0 H LEU B 12 11.872 0.351 -6.822 1.00 1.00 H new ATOM 0 HA LEU B 12 12.773 2.582 -8.467 1.00 1.00 H new ATOM 0 HB2 LEU B 12 13.678 -0.303 -8.611 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.543 1.130 -9.132 1.00 1.00 H new ATOM 0 HG LEU B 12 13.901 0.509 -6.234 1.00 1.00 H new ATOM 0 HD11 LEU B 12 16.270 -0.151 -6.052 1.00 1.00 H new ATOM 0 HD12 LEU B 12 15.379 -1.203 -7.177 1.00 1.00 H new ATOM 0 HD13 LEU B 12 16.459 0.062 -7.809 1.00 1.00 H new ATOM 0 HD21 LEU B 12 15.613 2.212 -5.765 1.00 1.00 H new ATOM 0 HD22 LEU B 12 15.788 2.514 -7.510 1.00 1.00 H new ATOM 0 HD23 LEU B 12 14.251 2.884 -6.693 1.00 1.00 H new ATOM 785 N PRO B 13 11.254 -0.108 -9.790 1.00 1.00 N ATOM 786 CA PRO B 13 10.510 -0.555 -10.977 1.00 1.00 C ATOM 787 C PRO B 13 9.275 0.298 -11.264 1.00 1.00 C ATOM 788 O PRO B 13 9.153 0.887 -12.341 1.00 1.00 O ATOM 789 CB PRO B 13 10.098 -1.991 -10.631 1.00 1.00 C ATOM 790 CG PRO B 13 11.041 -2.417 -9.561 1.00 1.00 C ATOM 791 CD PRO B 13 11.340 -1.180 -8.774 1.00 1.00 C ATOM 0 HA PRO B 13 11.119 -0.476 -11.878 1.00 1.00 H new ATOM 0 HB2 PRO B 13 9.065 -2.033 -10.286 1.00 1.00 H new ATOM 0 HB3 PRO B 13 10.169 -2.642 -11.502 1.00 1.00 H new ATOM 0 HG2 PRO B 13 10.596 -3.186 -8.929 1.00 1.00 H new ATOM 0 HG3 PRO B 13 11.951 -2.841 -9.986 1.00 1.00 H new ATOM 0 HD2 PRO B 13 10.621 -1.031 -7.969 1.00 1.00 H new ATOM 0 HD3 PRO B 13 12.328 -1.223 -8.315 1.00 1.00 H new ATOM 799 N CYS B 14 8.363 0.372 -10.304 1.00 1.00 N ATOM 800 CA CYS B 14 7.147 1.150 -10.476 1.00 1.00 C ATOM 801 C CYS B 14 7.437 2.646 -10.368 1.00 1.00 C ATOM 802 O CYS B 14 6.665 3.476 -10.853 1.00 1.00 O ATOM 803 CB CYS B 14 6.115 0.727 -9.437 1.00 1.00 C ATOM 804 SG CYS B 14 6.126 -1.060 -9.087 1.00 1.00 S ATOM 0 H CYS B 14 8.443 -0.096 -9.401 1.00 1.00 H new ATOM 0 HA CYS B 14 6.747 0.959 -11.472 1.00 1.00 H new ATOM 0 HB2 CYS B 14 6.299 1.272 -8.511 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.123 1.015 -9.784 1.00 1.00 H new ATOM 0 HG CYS B 14 6.856 -1.292 -8.037 1.00 1.00 H new ATOM 809 N GLY B 15 8.551 2.971 -9.727 1.00 1.00 N ATOM 810 CA GLY B 15 8.950 4.356 -9.568 1.00 1.00 C ATOM 811 C GLY B 15 8.009 5.135 -8.675 1.00 1.00 C ATOM 812 O GLY B 15 7.605 6.251 -9.004 1.00 1.00 O ATOM 0 H GLY B 15 9.191 2.294 -9.311 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.956 4.395 -9.150 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.993 4.832 -10.547 1.00 1.00 H new ATOM 816 N ILE B 16 7.649 4.548 -7.544 1.00 1.00 N ATOM 817 CA ILE B 16 6.749 5.204 -6.607 1.00 1.00 C ATOM 818 C ILE B 16 7.346 5.210 -5.206 1.00 1.00 C ATOM 819 O ILE B 16 7.503 4.165 -4.576 1.00 1.00 O ATOM 820 CB ILE B 16 5.357 4.533 -6.572 1.00 1.00 C ATOM 821 CG1 ILE B 16 4.709 4.570 -7.961 1.00 1.00 C ATOM 822 CG2 ILE B 16 4.459 5.221 -5.549 1.00 1.00 C ATOM 823 CD1 ILE B 16 3.312 3.983 -8.005 1.00 1.00 C ATOM 0 H ILE B 16 7.964 3.623 -7.253 1.00 1.00 H new ATOM 0 HA ILE B 16 6.621 6.229 -6.955 1.00 1.00 H new ATOM 0 HB ILE B 16 5.484 3.491 -6.277 1.00 1.00 H new ATOM 0 HG12 ILE B 16 4.669 5.604 -8.305 1.00 1.00 H new ATOM 0 HG13 ILE B 16 5.343 4.026 -8.661 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.483 4.736 -5.537 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.912 5.149 -4.560 1.00 1.00 H new ATOM 0 HG23 ILE B 16 4.339 6.271 -5.817 1.00 1.00 H new ATOM 0 HD11 ILE B 16 2.923 4.046 -9.021 1.00 1.00 H new ATOM 0 HD12 ILE B 16 3.346 2.939 -7.694 1.00 1.00 H new ATOM 0 HD13 ILE B 16 2.661 4.541 -7.332 1.00 1.00 H new ATOM 835 N ALA B 17 7.693 6.395 -4.733 1.00 1.00 N ATOM 836 CA ALA B 17 8.267 6.551 -3.408 1.00 1.00 C ATOM 837 C ALA B 17 7.162 6.753 -2.381 1.00 1.00 C ATOM 838 O ALA B 17 6.199 7.476 -2.633 1.00 1.00 O ATOM 839 CB ALA B 17 9.239 7.718 -3.391 1.00 1.00 C ATOM 0 H ALA B 17 7.586 7.267 -5.251 1.00 1.00 H new ATOM 0 HA ALA B 17 8.816 5.646 -3.150 1.00 1.00 H new ATOM 0 HB1 ALA B 17 9.662 7.824 -2.392 1.00 1.00 H new ATOM 0 HB2 ALA B 17 10.040 7.535 -4.107 1.00 1.00 H new ATOM 0 HB3 ALA B 17 8.713 8.634 -3.662 1.00 1.00 H new ATOM 845 N PHE B 18 7.296 6.107 -1.233 1.00 1.00 N ATOM 846 CA PHE B 18 6.300 6.217 -0.179 1.00 1.00 C ATOM 847 C PHE B 18 6.938 6.690 1.115 1.00 1.00 C ATOM 848 O PHE B 18 8.142 6.952 1.166 1.00 1.00 O ATOM 849 CB PHE B 18 5.605 4.875 0.050 1.00 1.00 C ATOM 850 CG PHE B 18 4.527 4.577 -0.949 1.00 1.00 C ATOM 851 CD1 PHE B 18 3.755 5.594 -1.483 1.00 1.00 C ATOM 852 CD2 PHE B 18 4.283 3.277 -1.352 1.00 1.00 C ATOM 853 CE1 PHE B 18 2.760 5.318 -2.400 1.00 1.00 C ATOM 854 CE2 PHE B 18 3.291 2.995 -2.267 1.00 1.00 C ATOM 855 CZ PHE B 18 2.528 4.016 -2.791 1.00 1.00 C ATOM 0 H PHE B 18 8.085 5.501 -1.008 1.00 1.00 H new ATOM 0 HA PHE B 18 5.558 6.950 -0.496 1.00 1.00 H new ATOM 0 HB2 PHE B 18 6.350 4.080 0.016 1.00 1.00 H new ATOM 0 HB3 PHE B 18 5.174 4.865 1.051 1.00 1.00 H new ATOM 0 HD1 PHE B 18 3.933 6.615 -1.179 1.00 1.00 H new ATOM 0 HD2 PHE B 18 4.877 2.472 -0.945 1.00 1.00 H new ATOM 0 HE1 PHE B 18 2.165 6.120 -2.810 1.00 1.00 H new ATOM 0 HE2 PHE B 18 3.112 1.975 -2.573 1.00 1.00 H new ATOM 0 HZ PHE B 18 1.750 3.797 -3.507 1.00 1.00 H new ATOM 865 N SER B 19 6.125 6.808 2.150 1.00 1.00 N ATOM 866 CA SER B 19 6.596 7.245 3.450 1.00 1.00 C ATOM 867 C SER B 19 6.136 6.280 4.541 1.00 1.00 C ATOM 868 O SER B 19 6.894 5.951 5.456 1.00 1.00 O ATOM 869 CB SER B 19 6.075 8.651 3.735 1.00 1.00 C ATOM 870 OG SER B 19 5.931 9.391 2.533 1.00 1.00 O ATOM 0 H SER B 19 5.126 6.605 2.113 1.00 1.00 H new ATOM 0 HA SER B 19 7.686 7.258 3.445 1.00 1.00 H new ATOM 0 HB2 SER B 19 5.114 8.590 4.247 1.00 1.00 H new ATOM 0 HB3 SER B 19 6.761 9.168 4.405 1.00 1.00 H new ATOM 0 HG SER B 19 5.594 10.288 2.739 1.00 1.00 H new ATOM 876 N SER B 20 4.894 5.824 4.429 1.00 1.00 N ATOM 877 CA SER B 20 4.330 4.902 5.403 1.00 1.00 C ATOM 878 C SER B 20 4.641 3.455 5.024 1.00 1.00 C ATOM 879 O SER B 20 4.273 2.990 3.945 1.00 1.00 O ATOM 880 CB SER B 20 2.817 5.104 5.507 1.00 1.00 C ATOM 881 OG SER B 20 2.486 6.484 5.533 1.00 1.00 O ATOM 0 H SER B 20 4.259 6.079 3.672 1.00 1.00 H new ATOM 0 HA SER B 20 4.784 5.109 6.372 1.00 1.00 H new ATOM 0 HB2 SER B 20 2.324 4.625 4.661 1.00 1.00 H new ATOM 0 HB3 SER B 20 2.444 4.620 6.410 1.00 1.00 H new ATOM 0 HG SER B 20 2.001 6.720 4.714 1.00 1.00 H new ATOM 887 N PRO B 21 5.328 2.720 5.912 1.00 1.00 N ATOM 888 CA PRO B 21 5.683 1.318 5.669 1.00 1.00 C ATOM 889 C PRO B 21 4.451 0.419 5.604 1.00 1.00 C ATOM 890 O PRO B 21 4.439 -0.587 4.896 1.00 1.00 O ATOM 891 CB PRO B 21 6.558 0.948 6.872 1.00 1.00 C ATOM 892 CG PRO B 21 6.195 1.931 7.934 1.00 1.00 C ATOM 893 CD PRO B 21 5.824 3.199 7.216 1.00 1.00 C ATOM 0 HA PRO B 21 6.187 1.185 4.712 1.00 1.00 H new ATOM 0 HB2 PRO B 21 6.367 -0.074 7.199 1.00 1.00 H new ATOM 0 HB3 PRO B 21 7.617 1.010 6.623 1.00 1.00 H new ATOM 0 HG2 PRO B 21 5.363 1.566 8.536 1.00 1.00 H new ATOM 0 HG3 PRO B 21 7.031 2.098 8.614 1.00 1.00 H new ATOM 0 HD2 PRO B 21 5.060 3.758 7.756 1.00 1.00 H new ATOM 0 HD3 PRO B 21 6.682 3.862 7.101 1.00 1.00 H new ATOM 901 N SER B 22 3.411 0.807 6.329 1.00 1.00 N ATOM 902 CA SER B 22 2.168 0.050 6.375 1.00 1.00 C ATOM 903 C SER B 22 1.489 0.011 5.005 1.00 1.00 C ATOM 904 O SER B 22 0.868 -0.986 4.634 1.00 1.00 O ATOM 905 CB SER B 22 1.242 0.679 7.412 1.00 1.00 C ATOM 906 OG SER B 22 1.983 1.513 8.293 1.00 1.00 O ATOM 0 H SER B 22 3.405 1.652 6.900 1.00 1.00 H new ATOM 0 HA SER B 22 2.392 -0.979 6.656 1.00 1.00 H new ATOM 0 HB2 SER B 22 0.468 1.262 6.913 1.00 1.00 H new ATOM 0 HB3 SER B 22 0.736 -0.102 7.979 1.00 1.00 H new ATOM 0 HG SER B 22 1.378 1.912 8.952 1.00 1.00 H new ATOM 912 N THR B 23 1.612 1.096 4.254 1.00 1.00 N ATOM 913 CA THR B 23 1.017 1.172 2.932 1.00 1.00 C ATOM 914 C THR B 23 1.986 0.648 1.877 1.00 1.00 C ATOM 915 O THR B 23 1.590 -0.084 0.965 1.00 1.00 O ATOM 916 CB THR B 23 0.589 2.612 2.604 1.00 1.00 C ATOM 917 OG1 THR B 23 1.560 3.539 3.104 1.00 1.00 O ATOM 918 CG2 THR B 23 -0.763 2.909 3.226 1.00 1.00 C ATOM 0 H THR B 23 2.119 1.934 4.539 1.00 1.00 H new ATOM 0 HA THR B 23 0.126 0.544 2.925 1.00 1.00 H new ATOM 0 HB THR B 23 0.516 2.716 1.521 1.00 1.00 H new ATOM 0 HG1 THR B 23 1.235 4.455 2.975 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.057 3.931 2.988 1.00 1.00 H new ATOM 0 HG22 THR B 23 -1.506 2.216 2.830 1.00 1.00 H new ATOM 0 HG23 THR B 23 -0.699 2.793 4.308 1.00 1.00 H new ATOM 926 N LEU B 24 3.262 1.001 2.030 1.00 1.00 N ATOM 927 CA LEU B 24 4.308 0.560 1.109 1.00 1.00 C ATOM 928 C LEU B 24 4.385 -0.966 1.080 1.00 1.00 C ATOM 929 O LEU B 24 4.686 -1.567 0.047 1.00 1.00 O ATOM 930 CB LEU B 24 5.661 1.154 1.524 1.00 1.00 C ATOM 931 CG LEU B 24 6.878 0.620 0.763 1.00 1.00 C ATOM 932 CD1 LEU B 24 6.825 1.028 -0.703 1.00 1.00 C ATOM 933 CD2 LEU B 24 8.167 1.111 1.405 1.00 1.00 C ATOM 0 H LEU B 24 3.597 1.595 2.788 1.00 1.00 H new ATOM 0 HA LEU B 24 4.062 0.912 0.107 1.00 1.00 H new ATOM 0 HB2 LEU B 24 5.619 2.235 1.393 1.00 1.00 H new ATOM 0 HB3 LEU B 24 5.809 0.967 2.588 1.00 1.00 H new ATOM 0 HG LEU B 24 6.857 -0.469 0.814 1.00 1.00 H new ATOM 0 HD11 LEU B 24 7.700 0.637 -1.221 1.00 1.00 H new ATOM 0 HD12 LEU B 24 5.922 0.625 -1.161 1.00 1.00 H new ATOM 0 HD13 LEU B 24 6.815 2.115 -0.778 1.00 1.00 H new ATOM 0 HD21 LEU B 24 9.021 0.721 0.851 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.190 2.201 1.388 1.00 1.00 H new ATOM 0 HD23 LEU B 24 8.215 0.763 2.437 1.00 1.00 H new ATOM 945 N GLU B 25 4.094 -1.577 2.226 1.00 1.00 N ATOM 946 CA GLU B 25 4.104 -3.029 2.368 1.00 1.00 C ATOM 947 C GLU B 25 3.182 -3.693 1.343 1.00 1.00 C ATOM 948 O GLU B 25 3.489 -4.762 0.818 1.00 1.00 O ATOM 949 CB GLU B 25 3.678 -3.413 3.789 1.00 1.00 C ATOM 950 CG GLU B 25 3.701 -4.905 4.059 1.00 1.00 C ATOM 951 CD GLU B 25 3.320 -5.238 5.484 1.00 1.00 C ATOM 952 OE1 GLU B 25 2.151 -5.014 5.861 1.00 1.00 O ATOM 953 OE2 GLU B 25 4.189 -5.728 6.235 1.00 1.00 O ATOM 0 H GLU B 25 3.845 -1.079 3.081 1.00 1.00 H new ATOM 0 HA GLU B 25 5.118 -3.384 2.185 1.00 1.00 H new ATOM 0 HB2 GLU B 25 4.336 -2.915 4.501 1.00 1.00 H new ATOM 0 HB3 GLU B 25 2.671 -3.037 3.969 1.00 1.00 H new ATOM 0 HG2 GLU B 25 3.015 -5.406 3.376 1.00 1.00 H new ATOM 0 HG3 GLU B 25 4.698 -5.294 3.852 1.00 1.00 H new ATOM 960 N ALA B 26 2.058 -3.048 1.053 1.00 1.00 N ATOM 961 CA ALA B 26 1.107 -3.585 0.093 1.00 1.00 C ATOM 962 C ALA B 26 1.589 -3.321 -1.321 1.00 1.00 C ATOM 963 O ALA B 26 1.510 -4.189 -2.184 1.00 1.00 O ATOM 964 CB ALA B 26 -0.272 -2.993 0.305 1.00 1.00 C ATOM 0 H ALA B 26 1.786 -2.157 1.468 1.00 1.00 H new ATOM 0 HA ALA B 26 1.036 -4.662 0.245 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -0.964 -3.411 -0.426 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.619 -3.230 1.311 1.00 1.00 H new ATOM 0 HB3 ALA B 26 -0.226 -1.911 0.183 1.00 1.00 H new ATOM 970 N HIS B 27 2.064 -2.104 -1.559 1.00 1.00 N ATOM 971 CA HIS B 27 2.591 -1.742 -2.873 1.00 1.00 C ATOM 972 C HIS B 27 3.638 -2.761 -3.303 1.00 1.00 C ATOM 973 O HIS B 27 3.595 -3.276 -4.424 1.00 1.00 O ATOM 974 CB HIS B 27 3.201 -0.334 -2.855 1.00 1.00 C ATOM 975 CG HIS B 27 3.747 0.100 -4.187 1.00 1.00 C ATOM 976 ND1 HIS B 27 4.790 -0.397 -4.898 1.00 1.00 N flip ATOM 977 CD2 HIS B 27 3.224 1.125 -4.948 1.00 1.00 C flip ATOM 978 CE1 HIS B 27 4.913 0.303 -6.087 1.00 1.00 C flip ATOM 979 NE2 HIS B 27 3.953 1.208 -6.073 1.00 1.00 N flip ATOM 0 H HIS B 27 2.096 -1.355 -0.867 1.00 1.00 H new ATOM 0 HA HIS B 27 1.768 -1.743 -3.587 1.00 1.00 H new ATOM 0 HB2 HIS B 27 2.441 0.378 -2.533 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.001 -0.303 -2.116 1.00 1.00 H new ATOM 0 HD1 HIS B 27 5.391 -1.167 -4.603 1.00 1.00 H new ATOM 0 HD2 HIS B 27 2.381 1.748 -4.687 1.00 1.00 H new ATOM 0 HE1 HIS B 27 5.644 0.141 -6.865 1.00 1.00 H new ATOM 987 N GLN B 28 4.557 -3.062 -2.391 1.00 1.00 N ATOM 988 CA GLN B 28 5.617 -4.027 -2.645 1.00 1.00 C ATOM 989 C GLN B 28 5.070 -5.447 -2.505 1.00 1.00 C ATOM 990 O GLN B 28 5.615 -6.273 -1.767 1.00 1.00 O ATOM 991 CB GLN B 28 6.777 -3.804 -1.671 1.00 1.00 C ATOM 992 CG GLN B 28 8.131 -3.680 -2.353 1.00 1.00 C ATOM 993 CD GLN B 28 8.485 -4.909 -3.164 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.099 -5.849 -2.659 1.00 1.00 O ATOM 995 NE2 GLN B 28 8.095 -4.917 -4.426 1.00 1.00 N ATOM 0 H GLN B 28 4.587 -2.646 -1.460 1.00 1.00 H new ATOM 0 HA GLN B 28 5.987 -3.891 -3.661 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.586 -2.899 -1.094 1.00 1.00 H new ATOM 0 HB3 GLN B 28 6.811 -4.633 -0.964 1.00 1.00 H new ATOM 0 HG2 GLN B 28 8.127 -2.807 -3.005 1.00 1.00 H new ATOM 0 HG3 GLN B 28 8.900 -3.512 -1.599 1.00 1.00 H new ATOM 0 HE21 GLN B 28 7.588 -4.119 -4.808 1.00 1.00 H new ATOM 0 HE22 GLN B 28 8.301 -5.722 -5.018 1.00 1.00 H new ATOM 1004 N ALA B 29 3.988 -5.705 -3.224 1.00 1.00 N ATOM 1005 CA ALA B 29 3.312 -6.992 -3.210 1.00 1.00 C ATOM 1006 C ALA B 29 2.228 -7.019 -4.278 1.00 1.00 C ATOM 1007 O ALA B 29 1.950 -8.056 -4.878 1.00 1.00 O ATOM 1008 CB ALA B 29 2.701 -7.257 -1.840 1.00 1.00 C ATOM 0 H ALA B 29 3.551 -5.019 -3.840 1.00 1.00 H new ATOM 0 HA ALA B 29 4.042 -7.773 -3.422 1.00 1.00 H new ATOM 0 HB1 ALA B 29 2.199 -8.224 -1.847 1.00 1.00 H new ATOM 0 HB2 ALA B 29 3.488 -7.262 -1.086 1.00 1.00 H new ATOM 0 HB3 ALA B 29 1.979 -6.475 -1.606 1.00 1.00 H new ATOM 1014 N TYR B 30 1.609 -5.865 -4.504 1.00 1.00 N ATOM 1015 CA TYR B 30 0.548 -5.746 -5.498 1.00 1.00 C ATOM 1016 C TYR B 30 1.085 -5.217 -6.827 1.00 1.00 C ATOM 1017 O TYR B 30 0.736 -5.725 -7.894 1.00 1.00 O ATOM 1018 CB TYR B 30 -0.559 -4.793 -5.019 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.367 -5.257 -3.818 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -0.772 -5.904 -2.742 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -2.732 -5.005 -3.750 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -1.510 -6.287 -1.641 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -3.477 -5.390 -2.653 1.00 1.00 C ATOM 1024 CZ TYR B 30 -2.862 -6.027 -1.601 1.00 1.00 C ATOM 1025 OH TYR B 30 -3.600 -6.404 -0.503 1.00 1.00 O ATOM 0 H TYR B 30 1.824 -4.998 -4.012 1.00 1.00 H new ATOM 0 HA TYR B 30 0.142 -6.748 -5.638 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.104 -3.833 -4.776 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.245 -4.620 -5.848 1.00 1.00 H new ATOM 0 HD1 TYR B 30 0.288 -6.111 -2.768 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -3.219 -4.499 -4.570 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -1.030 -6.789 -0.814 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -4.538 -5.192 -2.621 1.00 1.00 H new ATOM 0 HH TYR B 30 -3.876 -5.606 -0.005 1.00 1.00 H new ATOM 1035 N TYR B 31 1.937 -4.197 -6.759 1.00 1.00 N ATOM 1036 CA TYR B 31 2.473 -3.568 -7.962 1.00 1.00 C ATOM 1037 C TYR B 31 3.761 -4.220 -8.450 1.00 1.00 C ATOM 1038 O TYR B 31 3.765 -4.864 -9.500 1.00 1.00 O ATOM 1039 CB TYR B 31 2.689 -2.072 -7.725 1.00 1.00 C ATOM 1040 CG TYR B 31 1.519 -1.218 -8.167 1.00 1.00 C ATOM 1041 CD1 TYR B 31 0.227 -1.507 -7.750 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.704 -0.127 -9.009 1.00 1.00 C ATOM 1043 CE1 TYR B 31 -0.846 -0.736 -8.155 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.636 0.650 -9.416 1.00 1.00 C ATOM 1045 CZ TYR B 31 -0.638 0.340 -8.988 1.00 1.00 C ATOM 1046 OH TYR B 31 -1.706 1.110 -9.398 1.00 1.00 O ATOM 0 H TYR B 31 2.270 -3.790 -5.885 1.00 1.00 H new ATOM 0 HA TYR B 31 1.733 -3.710 -8.750 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.873 -1.903 -6.664 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.584 -1.753 -8.258 1.00 1.00 H new ATOM 0 HD1 TYR B 31 0.057 -2.350 -7.097 1.00 1.00 H new ATOM 0 HD2 TYR B 31 2.699 0.117 -9.351 1.00 1.00 H new ATOM 0 HE1 TYR B 31 -1.844 -0.977 -7.819 1.00 1.00 H new ATOM 0 HE2 TYR B 31 0.798 1.497 -10.067 1.00 1.00 H new ATOM 0 HH TYR B 31 -1.386 1.829 -9.981 1.00 1.00 H new ATOM 1056 N CYS B 32 4.851 -4.060 -7.703 1.00 1.00 N ATOM 1057 CA CYS B 32 6.127 -4.630 -8.106 1.00 1.00 C ATOM 1058 C CYS B 32 6.155 -6.137 -7.868 1.00 1.00 C ATOM 1059 O CYS B 32 6.714 -6.604 -6.873 1.00 1.00 O ATOM 1060 CB CYS B 32 7.266 -3.951 -7.348 1.00 1.00 C ATOM 1061 SG CYS B 32 6.709 -2.739 -6.105 1.00 1.00 S ATOM 0 H CYS B 32 4.873 -3.544 -6.823 1.00 1.00 H new ATOM 0 HA CYS B 32 6.257 -4.456 -9.174 1.00 1.00 H new ATOM 0 HB2 CYS B 32 7.866 -4.715 -6.853 1.00 1.00 H new ATOM 0 HB3 CYS B 32 7.917 -3.449 -8.064 1.00 1.00 H new ATOM 0 HG CYS B 32 7.368 -1.629 -6.256 1.00 1.00 H new ATOM 1066 N SER B 33 5.548 -6.874 -8.797 1.00 1.00 N ATOM 1067 CA SER B 33 5.465 -8.332 -8.740 1.00 1.00 C ATOM 1068 C SER B 33 4.515 -8.788 -7.633 1.00 1.00 C ATOM 1069 O SER B 33 4.701 -8.462 -6.459 1.00 1.00 O ATOM 1070 CB SER B 33 6.852 -8.955 -8.549 1.00 1.00 C ATOM 1071 OG SER B 33 7.782 -8.405 -9.473 1.00 1.00 O ATOM 0 H SER B 33 5.096 -6.472 -9.618 1.00 1.00 H new ATOM 0 HA SER B 33 5.064 -8.677 -9.693 1.00 1.00 H new ATOM 0 HB2 SER B 33 7.197 -8.780 -7.530 1.00 1.00 H new ATOM 0 HB3 SER B 33 6.793 -10.035 -8.684 1.00 1.00 H new ATOM 0 HG SER B 33 8.662 -8.814 -9.334 1.00 1.00 H new ATOM 1077 N HIS B 34 3.489 -9.537 -8.018 1.00 1.00 N ATOM 1078 CA HIS B 34 2.514 -10.039 -7.064 1.00 1.00 C ATOM 1079 C HIS B 34 3.150 -11.100 -6.178 1.00 1.00 C ATOM 1080 O HIS B 34 3.198 -12.277 -6.529 1.00 1.00 O ATOM 1081 CB HIS B 34 1.292 -10.613 -7.784 1.00 1.00 C ATOM 1082 CG HIS B 34 0.058 -9.771 -7.655 1.00 1.00 C ATOM 1083 ND1 HIS B 34 -0.640 -9.295 -8.742 1.00 1.00 N ATOM 1084 CD2 HIS B 34 -0.618 -9.340 -6.562 1.00 1.00 C ATOM 1085 CE1 HIS B 34 -1.689 -8.611 -8.328 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -1.703 -8.620 -7.007 1.00 1.00 N ATOM 0 H HIS B 34 3.312 -9.809 -8.985 1.00 1.00 H new ATOM 0 HA HIS B 34 2.182 -9.208 -6.442 1.00 1.00 H new ATOM 0 HB2 HIS B 34 1.529 -10.733 -8.841 1.00 1.00 H new ATOM 0 HB3 HIS B 34 1.084 -11.607 -7.389 1.00 1.00 H new ATOM 0 HD2 HIS B 34 -0.354 -9.527 -5.532 1.00 1.00 H new ATOM 0 HE1 HIS B 34 -2.415 -8.125 -8.963 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -2.401 -8.169 -6.416 1.00 1.00 H new